4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C11H11Cl2N3OS — CID 66553795

IUPAC4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClCc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C11H11Cl2N3OS/c12-6-7-5-8-9(18-7)10(15-11(13)14-8)16-1-3-17-4-2-16/h5H,1-4,6H2
InChIKeyZNATZJQLFVNUCL-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.92
Rot. Bonds2

About 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 66553795) has the molecular formula C11H11Cl2N3OS and a molecular weight of 304.20 g/mol. Its IUPAC name is 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID66553795
Molecular FormulaC11H11Cl2N3OS
Molecular Weight304.20 g/mol
Exact Mass303.00
IUPAC Name4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClCc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C11H11Cl2N3OS/c12-6-7-5-8-9(18-7)10(15-11(13)14-8)16-1-3-17-4-2-16/h5H,1-4,6H2
InChIKeyZNATZJQLFVNUCL-UHFFFAOYSA-N
XLogP2.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine
CID 86619261
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
CID 86623542
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-4-phenylpiperidin-4-ol
CID 86623539
4-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)aniline
CID 59829352
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 66553795) is 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is ClCc1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZNATZJQLFVNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3OS/c12-6-7-5-8-9(18-7)10(15-11(13)14-8)16-1-3-17-4-2-16/h5H,1-4,6H2.
What are the key properties of 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 304.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 66553795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).